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CAS 1052633-38-1 Ethanone, 1-[5-broMo-1-[(4-Methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]- molecular structure lightbox
CAS RN: 1052633-38-1

Ethanone, 1-[5-broMo-1-[(4-Methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250602 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-006993
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1052633-38-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

1052633-38-1 / 1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanone

1-(5-Bromo-1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone | MFCD15529460 | Ethanone, 1-[5-bromo-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-

Standard CAS: 1052633-38-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1052633-38-1
Multi CAS
No
Molecular Formula
C16H13BrN2O3S
Molecular Weight
393.300000
Exact Mass
391.983030
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2N=CC(=C3)Br)C(=O)C
InChI
InChI=1S/C16H13BrN2O3S/c1-10-3-5-13(6-4-10)23(21,22)19-9-15(11(2)20)14-7-12(17)8-18-16(14)19/h3-9H,1-2H3
InChIKey
XLSZIQOYBFJCGX-UHFFFAOYSA-N
Synonyms
1-(5-Bromo-1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone MFCD15529460 Ethanone, 1-[5-bromo-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]- 1-[5-BROMO-1-[(4-METHYLPHENYL)SULFONYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]-ETHANONE 1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanone

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
91.2
TPSA
69.03

LogP / Solubility

WLOGP
3.55
MLOGP
3.14
XLogP3
3.2
Consensus LogP
3.3
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.52
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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